5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile

C7H7N5 — CID 734486

IUPAC5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(CC#N)c(C#N)c1N
InChIInChI=1S/C7H7N5/c1-12-7(10)5(4-9)6(11-12)2-3-8/h2,10H2,1H3
InChIKeyAKNBVYKHUHEZDT-UHFFFAOYSA-N
MW161.17 g/mol
LogP-0.06
Rot. Bonds1

About 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile

5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile (PubChem CID 734486) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile
PubChem CID734486
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(CC#N)c(C#N)c1N
InChIInChI=1S/C7H7N5/c1-12-7(10)5(4-9)6(11-12)2-3-8/h2,10H2,1H3
InChIKeyAKNBVYKHUHEZDT-UHFFFAOYSA-N
XLogP-0.06
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile (CID 734486) is 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile is Cn1nc(CC#N)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is AKNBVYKHUHEZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-7(10)5(4-9)6(11-12)2-3-8/h2,10H2,1H3.
What are the key properties of 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile?
5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 161.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyanomethyl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 734486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).